Imperial College London


Faculty of EngineeringDepartment of Materials

Chair in Materials Design



+44 (0)20 7594 1178a.walsh Website




2.10Royal School of MinesSouth Kensington Campus





Aron Walsh is a Full Professor and Fellow of the RSC in the Department of Materials. He leads the Materials Design Group at Imperial College and holds a Underwood Distinguished Visiting Professorship at Yonsei University, Korea.

Aron was awarded his PhD in chemistry from Trinity College Dublin. He then worked for the US Department of Energy at the National Renewable Energy Laboratory (NREL), followed by a Marie Curie Fellowship hosted by University College London, and a Royal Society University Research Fellowship held at the University of Bath.

His research involves cutting-edge materials theory and simulation applied to problems across solid-state chemistry and physics, including materials for solar cells and fuels, batteries, thermoelectrics, and solid-state lighting. He has an expertise in the theory of semiconductors and dielectrics, and is developing innovative solutions for materials data, informatics and design. His group published a review on machine learning for molecules and materials in Nature. 

These activities have been supported by funding from the Royal Society, EPSRC, ERC, Horizon2020, and the Faraday Institution

In 2015, Aron was awarded the EU-40 prize from the European Materials Research Society and the Chemistry Society Reviews Emerging Investigator Lectureship for his work on the theory of next-generation perovskite photovoltaics. In 2017, he was a recipient of the Philip Leverhulme Prize. In 2019, he received the Corday-Morgan Prize from the RSC for his breakthrough research on hybrid organic-inorganic solids.

Aron features in the Highly Cited Researchers list. A full publication list can be found on Google Scholar.

Associate Editor

Journal of the American Chemical Society

Editorial Advisory Boards

Royal Society of Chemistry: Materials Horizons

American Chemical Society: ACS Energy Letters

Materials Research Society: MRS Energy & Sustainability

Springer Nature: npj Computational Materials

Institute of Physics: JPhys Energy

American Institute of Physics: APL Materials



Huang Y-T, Kavanagh SR, Scanlon DO, et al., 2021, Perovskite-inspired materials for photovoltaics and beyond-from design to devices (vol 32, 132004, 2021), Nanotechnology, Vol:32, ISSN:0957-4484

Harnett-Caulfield L, Walsh A, 2021, Assessment of interstitial potentials for rapid prediction of absolute band energies in crystals, The Journal of Chemical Physics, Vol:155, ISSN:0021-9606, Pages:024113-024113

Gittins JW, Balhatchet CJ, Chen Y, et al., 2021, Insights into the electric double-layer capacitance of two-dimensional electrically conductive metal-organic frameworks, Journal of Materials Chemistry A, ISSN:2050-7488

Whalley LD, van Gerwen P, Frost JM, et al., 2021, Giant Huang-Rhys Factor for Electron Capture by the Iodine Intersitial in Perovskite Solar Cells., J Am Chem Soc, Vol:143, Pages:9123-9128

Kim S, Walsh A, 2021, Ab initio calculation of the detailed balance limit to the photovoltaic efficiency of single p-n junction kesterite solar cells, Applied Physics Letters, Vol:118, ISSN:0003-6951

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